Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C22H25NO2/c1-21(2,3)15-7-13(11-24)19-17(9-15)18-10-16(22(4,5)6)8-14(12-25)20(18)23-19/h7-12,23H,1-6H3
SMILES O=Cc1cc(cc2c1[nH]c1c2cc(cc1C=O)C(C)(C)C)C(C)(C)C
InChI Key QFCORKHZKILASC-UHFFFAOYSA-N
Exact Mass 335.439 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QFCORKHZKILASC-UHFFFAOYSA-N/CHMO0000601.1
License URL
Source https://www.chemotion-repository.net/inchikey/QFCORKHZKILASC-UHFFFAOYSA-N/CHMO0000601.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • 3,6-ditert-butyl-9H-carbazole-1,8-dicarbaldehyde
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : FAS-R116A

    date : 20240727

    starting time : 6.11 h

    label : FAS-341

    id : 316981

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    12075244 PubChem
    CETGEQ CCDC
    The data in this table is sourced from UniChem at EBI.